4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine

C13H24N4O — CID 82753870

IUPAC4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C2CCOC2C)c1CCN
InChIInChI=1S/C13H24N4O/c1-9-11(5-7-14)13(17(4)15-9)16(3)12-6-8-18-10(12)2/h10,12H,5-8,14H2,1-4H3
InChIKeyYTLFOLIYFATFHD-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.84
Rot. Bonds4

About 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine

4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine (PubChem CID 82753870) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine
PubChem CID82753870
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C2CCOC2C)c1CCN
InChIInChI=1S/C13H24N4O/c1-9-11(5-7-14)13(17(4)15-9)16(3)12-6-8-18-10(12)2/h10,12H,5-8,14H2,1-4H3
InChIKeyYTLFOLIYFATFHD-UHFFFAOYSA-N
XLogP0.84
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine (CID 82753870) is 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine is Cc1nn(C)c(N(C)C2CCOC2C)c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine?
The InChIKey is YTLFOLIYFATFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9-11(5-7-14)13(17(4)15-9)16(3)12-6-8-18-10(12)2/h10,12H,5-8,14H2,1-4H3.
What are the key properties of 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine?
4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine has a molecular weight of 252.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2-methyloxolan-3-yl)pyrazol-5-amine is sourced from PubChem (CID 82753870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).